methyl 3,3-dimethyl-4-nitro-nonanoate

Systemtic Name: methyl 3,3-dimethyl-4-nitro-nonanoate Openeye Name: methyl 3,3-dimethyl-4-nitro-nonanoate CAS Name: 3,3-dimethyl-4-nitrononanoic acid methyl ester IUPAC Name: methyl 3,3-dimethyl-4-nitrononanoate Traditional Name: 3,3-dimethyl-4-nitro-pelargonic acid methyl ester Formula: C12H23NO4 MolecularWeight: 245.31532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)(C)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C(C)(C)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H23NO4/c1-5-6-7-8-10(13(15)16)12(2,3)9-11(14)17-4/h10H,5-9H2,1-4H3